N-[(2S)-heptan-2-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide

Systemtic Name: N-[(2S)-heptan-2-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanamide Openeye Name: N-[(1S)-1-methylhexyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide CAS Name: N-[(2S)-heptan-2-yl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[(2S)-heptan-2-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]acetamide Traditional Name: N-[(1S)-1-methylhexyl]-2-[4-(2-nitrophenyl)sulfonylpiperazino]acetamide Formula: C19H30N4O5S MolecularWeight: 426.5303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC[C@H](C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H30N4O5S/c1-3-4-5-8-16(2)20-19(24)15-21-11-13-22(14-12-21)29(27,28)18-10-7-6-9-17(18)23(25)26/h6-7,9-10,16H,3-5,8,11-15H2,1-2H3,(H,20,24)/t16-/m0/s1